SCHEMBL2833472

SCHEMBL2833472

CC(C)c1cc(C(C)(C)c2cc(C(C)C)c(OCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 4/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP1A2 P05177 1/20 0.53
PPARG P37231 1/20 0.53
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.35
HMGCR P04035 1/20 0.33
PKM P14618 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
VDR P11473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2836414 0.88 TSHR (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL20402512 0.86 ALDH1A1 (0.67) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2831476 0.85 MEN1 (0.40) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2834992 0.84 TP53 (0.39) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836412 0.84 TSHR (0.42) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2836085 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2832130 0.83 TP53 (0.38) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2830269 0.82 ALDH1A1 (0.60) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2835833 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2828882 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTP53MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed